4-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-keto-butyric acid Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Br)NC(=O)CCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H12BrNO5/c13-8-5-7(14-10(15)1-2-11(16)17)6-9-12(8)19-4-3-18-9/h5-6H,1-4H2,(H,14,15)(H,16,17)